CHEBI:63707 - syn-labda-8(17),12E,14-triene

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ChEBI Name syn-labda-8(17),12E,14-triene ChEBI ID CHEBI:63707 ChEBI ASCII Name syn-labda-8(17),12E,14-triene Definition A diterpene derived from labdane by dehydrogenation across the C(8)‒C(17), C(12)‒C(13) and C(14)‒C(15) bonds. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H32 Net Charge 0 Average Mass 272.46810 Monoisotopic Mass 272.25040 InChI InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20-/m1/s1 InChIKey VJVMMXUPZGOBSN-URKRXPPWSA-N SMILES C\C(C=C)=C/C[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C ChEBI Ontology Outgoing syn-labda-8(17),12E,14-triene (CHEBI:63707) has parent hydride labdane (CHEBI:36505) syn-labda-8(17),12E,14-triene (CHEBI:63707) is a diterpene (CHEBI:35190) IUPAC Name (4aS,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene Synonyms Sources (12E)-9α-labda-8(17),12,14-triene UniProt 5α,9α,10β-labda-8(17),12E,14-triene ChEBI Manual Xref Database CPD-13868 MetaCyc View more database links Registry Number Type Source 22213063 Reaxys Registry Number Reaxys Citation Type Source 21323642 PubMed citation SUBMITTER Last Modified 15 January 2014